RefChem:239111
TL;DR: RefChem:239111 (CAS 116736-23-3) is a chemical compound with molecular formula C28H30BrClN2O3S and molecular weight 588.0849 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methylphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride, Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methylphenyl)-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C28H30BrClN2O3S |
| Molecular Weight | 588.0849 g/mol |
| XLogP | 7.35942 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 588.0849 Da |
| Heavy Atoms | 36 |
| Complexity | 683.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=C(C=C3)C)CSC4=CC=CC=C4.Cl |
| InChIKey | WZVZGGDBECQSQD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239111
Property Insights of RefChem:239111
The XLogP value of 7.35942 indicates that RefChem:239111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239111. Following Lipinski's Rule of Five, RefChem:239111 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:239111?
The CAS number of RefChem:239111 is 116736-23-3.
What is the molecular formula of RefChem:239111?
The molecular formula of RefChem:239111 is C28H30BrClN2O3S.
What is the molecular weight of RefChem:239111?
The molecular weight of RefChem:239111 is 588.0849 g/mol.
Where can I buy RefChem:239111?
You can request a quote for RefChem:239111 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239111?
Yes, CoreyChem provides custom synthesis services for RefChem:239111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.